Abstract
Efficient carbon capture is an essential step in many energy-related processes. Here, we use molecular dynamics simulations and free energy analysis to investigate the inherent implication of the ZIF-8/glycol slurry based adsorption and absorption hybrid technique for carbon capture. Our results reveal that the formation of two-layer ordered hydrogen bond (HB) networks of glycol molecules on the ZIF-8 surface is the physical origin of the high efficiency of using ZIF-8/glycol slurry for carbon capture. It is found that the film composed of two-layer HB networks acts as a selective gatekeeper, allowing the penetration of CO2 molecules but efficiently blocking CH4. The interaction between the HB-forming solvent and ZIF-8 is the key to the formation of the semipermeable film, while the solute-solvent interaction is essential for film crossing. Finally, we discuss the basis for the design of highly efficient nanopore/slurry system for filtering and separation technologies. The uncovered mechanism for the hybrid technique opens up an exciting strategy for highly efficient CO2 separation.
| Original language | English |
|---|---|
| Pages (from-to) | 25347-25352 |
| Number of pages | 6 |
| Journal | Journal of Physical Chemistry C |
| Volume | 121 |
| Issue number | 45 |
| DOIs | |
| Publication status | Published - Nov 16 2017 |
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ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Energy(all)
- Physical and Theoretical Chemistry
- Surfaces, Coatings and Films
Cite this
Hydrogen Bond Networks of Glycol Molecules on ZIF-8 Surfaces as Semipermeable Films for Efficient Carbon Capture. / Li, Jing; Liu, Bei; Zhang, Xianren; Cao, Dapeng; Chen, Guangjin.
In: Journal of Physical Chemistry C, Vol. 121, No. 45, 16.11.2017, p. 25347-25352.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Hydrogen Bond Networks of Glycol Molecules on ZIF-8 Surfaces as Semipermeable Films for Efficient Carbon Capture
AU - Li, Jing
AU - Liu, Bei
AU - Zhang, Xianren
AU - Cao, Dapeng
AU - Chen, Guangjin
PY - 2017/11/16
Y1 - 2017/11/16
N2 - Efficient carbon capture is an essential step in many energy-related processes. Here, we use molecular dynamics simulations and free energy analysis to investigate the inherent implication of the ZIF-8/glycol slurry based adsorption and absorption hybrid technique for carbon capture. Our results reveal that the formation of two-layer ordered hydrogen bond (HB) networks of glycol molecules on the ZIF-8 surface is the physical origin of the high efficiency of using ZIF-8/glycol slurry for carbon capture. It is found that the film composed of two-layer HB networks acts as a selective gatekeeper, allowing the penetration of CO2 molecules but efficiently blocking CH4. The interaction between the HB-forming solvent and ZIF-8 is the key to the formation of the semipermeable film, while the solute-solvent interaction is essential for film crossing. Finally, we discuss the basis for the design of highly efficient nanopore/slurry system for filtering and separation technologies. The uncovered mechanism for the hybrid technique opens up an exciting strategy for highly efficient CO2 separation.
AB - Efficient carbon capture is an essential step in many energy-related processes. Here, we use molecular dynamics simulations and free energy analysis to investigate the inherent implication of the ZIF-8/glycol slurry based adsorption and absorption hybrid technique for carbon capture. Our results reveal that the formation of two-layer ordered hydrogen bond (HB) networks of glycol molecules on the ZIF-8 surface is the physical origin of the high efficiency of using ZIF-8/glycol slurry for carbon capture. It is found that the film composed of two-layer HB networks acts as a selective gatekeeper, allowing the penetration of CO2 molecules but efficiently blocking CH4. The interaction between the HB-forming solvent and ZIF-8 is the key to the formation of the semipermeable film, while the solute-solvent interaction is essential for film crossing. Finally, we discuss the basis for the design of highly efficient nanopore/slurry system for filtering and separation technologies. The uncovered mechanism for the hybrid technique opens up an exciting strategy for highly efficient CO2 separation.
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U2 - 10.1021/acs.jpcc.7b09068
DO - 10.1021/acs.jpcc.7b09068
M3 - Article
VL - 121
SP - 25347
EP - 25352
JO - Journal of Physical Chemistry C
JF - Journal of Physical Chemistry C
SN - 1932-7447
IS - 45
ER -